5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid

C13H10N2O5S — CID 19928174

IUPAC5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H10N2O5S/c16-12(9-6-7-11(13(17)18)14-8-9)15-21(19,20)10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18)
InChIKeyVXCNNKUETLEVAO-UHFFFAOYSA-N
MW306.30 g/mol
LogP0.90
Rot. Bonds4

About 5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid

5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 19928174) has the molecular formula C13H10N2O5S and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID19928174
Molecular FormulaC13H10N2O5S
Molecular Weight306.30 g/mol
Exact Mass306.03
IUPAC Name5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H10N2O5S/c16-12(9-6-7-11(13(17)18)14-8-9)15-21(19,20)10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18)
InChIKeyVXCNNKUETLEVAO-UHFFFAOYSA-N
XLogP0.90
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Inhibitor 50
CID 5327339
4-[(Pyridin-3-ylmethyl)-sulfamoyl]-benzoic acid
CID 764036
5-[(4-Methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
6-{[2-(4-Sulfamoylphenyl)ethyl]carbamoyl}pyridine-2-carboxylic acid
CID 10665468
6-(4-Sulfamoyl-benzylcarbamoyl)-pyridine-2-carboxylic acid
CID 10759222
Sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54587006
5-(Naphthalene-1-sulfonylaminocarbonyl)-pyridine-2-carboxylic acid; Hydrate
CID 44379134
5-Phenylmethanesulfonylaminocarbonyl-pyridine-2-carboxylic acid
CID 44379135
3-Carbamoylpicolinic Acid
CID 10313273
5-p-Tolylcarbamoyl-pyridine-2-carboxylic acid; acetic acid
CID 15121188
5-(4-Dimethylamino-phenylcarbamoyl)-pyridine-2-carboxylic acid; Hydrate
CID 15121190
5-(Propan-2-ylsulfonylcarbamoyl)pyridine-2-carboxylic acid;hydrochloride
CID 49861182

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid (CID 19928174) is 5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid is O=C(NS(=O)(=O)c1ccccc1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is VXCNNKUETLEVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5S/c16-12(9-6-7-11(13(17)18)14-8-9)15-21(19,20)10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18).
What are the key properties of 5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid?
5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 306.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 19928174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).